[4-(5-octylpyridin-2-yl)phenyl] octanoate

Systemtic Name: [4-(5-octylpyridin-2-yl)phenyl] octanoate Openeye Name: [4-(5-octyl-2-pyridyl)phenyl] octanoate CAS Name: octanoic acid [4-(5-octyl-2-pyridinyl)phenyl] ester IUPAC Name: [4-(5-octylpyridin-2-yl)phenyl] octanoate Traditional Name: caprylic acid [4-(5-octyl-2-pyridyl)phenyl] ester Formula: C27H39NO2 MolecularWeight: 409.60406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)OC(=O)CCCCCCC

InChI

InChI=1S/C27H39NO2/c1-3-5-7-9-11-12-14-23-16-21-26(28-22-23)24-17-19-25(20-18-24)30-27(29)15-13-10-8-6-4-2/h16-22H,3-15H2,1-2H3